C1E
Summary
| Name: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid |
| Formula: | C12 H9 Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 252.65 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenyl-hexa-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(\C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(/O)=C(Cl)\C=C\C(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(O)=C(Cl)C=CC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)C=CC(=C(C(=O)O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9- |
| InChIKey | InChI | 1.03 | IBJDCVXDXGFGIO-FKTQTOOFSA-N |
